Results 51 to 60 of about 338,762 (168)
ChemPhysChem, Volume 27, Issue 6, 27 March 2026.The host–guest complexation of a new fluorescent probe called 7‐(diethylamino)‐4‐hydroxyquinoline‐2(1H)‐one (QD) and its inclusion complex with the Cucurbit[7]uril (CB7) macrocycle were studied within a joint experimental and computational study. Confinement alters the photophysical properties of the synthesized quinolinone derivative also offering a ...
Kevin Droguett +4 more
wiley +1 more source
The virial theorem for the polarizable continuum model
, 2014 The electronic virial theorem is extended to molecular systems within the framework of the Polarizable Continuum Model (PCM) to describe solvation effects. The theorem is given in the form of a relation involving the components of the energy (kinetic and
R. Cammi, CAMMI, Roberto
core +1 more source
Generalized virial theorem for the Liénard-type systems [PDF]
, 2015 A geometrical description of the virial theorem (VT) of statistical mechanics is pre- sented using the symplectic formalism. The character of the Clausius virial function is determined for second-order differential equations of the Lie´nard type.
Guha, P. +2 more
core +1 more source
Dynamical Classification of Galactic Open Clusters Using Virial Theorem
UniverseOpen clusters are important tracers for studying the structure and evolution of the Milky Way, but determining their dynamical states and gravitational binding properties remains a complex task. In this study, we systematically analysed the gravitational
Chaolin Yu +3 more
doaj +1 more source
Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice
Small Methods, Volume 10, Issue 5, 9 March 2026.Computational modeling is widely used to investigate electrocatalytic reactions, yet accurately describing electrochemical interfaces remains challenging. This review outlines theoretical and computational strategies, based on density functional theory, to model reaction thermodynamics, solvation effects, applied bias, and kinetics.
Michele Re Fiorentin +8 more
wiley +1 more source
Numerical Study of a Nonlocal Nonlinear Schrödinger Equation (MMT Model)
Studies in Applied Mathematics, Volume 156, Issue 3, March 2026.ABSTRACT In this paper, we study a nonlocal nonlinear Schrödinger equation (MMT model). We investigate the effect of the nonlocal operator appearing in the nonlinearity on the long‐term behavior of solutions, and we identify the conditions under which the solutions of the Cauchy problem associated with this equation are bounded globally in time in the ...
Amin Esfahani, Gulcin M. Muslu
wiley +1 more source
THE FRACTIONAL VIRIAL THEOREM [PDF]
, 2011 . Fractional calculus is an emerging field and its has many applications in several fields of science and engineering. One of the major issue in this field is to apply this type of calculus to the real world applications.
Cristina Mihaela-Baleanu +3 more
core
MOND virial theorem applied to a galaxy cluster [PDF]
, 2009 Fabris JC, Velten H. MOND virial theorem applied to a galaxy cluster. Braz.J.Phys.
Velten,H.E.S. +5 more
core +1 more source
Challenges in probing turbulent and magnetic support in cores: The W43-MM1 protocluster case study
Astronomy & AstrophysicsContext. Estimating the level of nonthermal support in cores is both challenging yet crucial for constraining the earliest stages of star formation and improving our understanding of the underlying physical processes. Aims. We aim to quantify the kinetic
Valeille-Manet M. +15 more
doaj +1 more source
Wave‐Partition‐Governed Dual‐Site Spallation in Single Crystals
Advanced Science, Volume 13, Issue 9, 13 February 2026.Crystalline anisotropy shapes shock‐wave propagation and the resulting damage evolution in single crystals. Large‐scale molecular dynamics and damage modeling uncover a dual‐spallation mechanism driven by anisotropic elasticplastic wave separation, which mitigates damage accumulation.
Youlin Zhu +6 more
wiley +1 more source